4-브로모-2-플루오로-1-메틸티오벤젠

4-Bromo-2-fluorothioanisole

HCID 21934064

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 221030-79-1
표준 SMILES: CSc1ccc(Br)cc1F
InChIKey: YHOVMTICYSGLFD-UHFFFAOYSA-N
분자식: C7H6BrFS
평균 분자량: 221.09 g/mol
단동위원소 질량: 219.93576

이름 및 식별자

우선 이름: 4-Bromo-2-fluorothioanisole
IUPAC: 4-bromo-2-fluoro-1-methylsulfanylbenzene
현지명: 4-브로모-2-플루오로-1-메틸티오벤젠
영어명: 4-bromo-2-fluoro-1-methylthiobenzene
분자식: C7H6BrFS
분자량: 221.09

이름 및 동의어

4-Bromo-2-fluorothioanisoleRefChem:519711821-335-6221030-79-1(4-Bromo-2-fluorophenyl)(methyl)sulfaneMFCD127564554-bromo-2-fluoro-1-methylsulfanylbenzene4-bromo-2-fluoro-1-methylsulfanyl-benzeneBenzene, 4-bromo-2-fluoro-1-(methylthio)-4-Bromo-2-fluoro-1-(methylsulfanyl)benzeneSCHEMBL1581643SCHEMBL29504598

이름 더 보기

4-브로모-2-플루오로-1-메틸티오벤젠4-bromo-2-fluoro-1-methylthiobenzene

DTXSID00620308YHOVMTICYSGLFD-UHFFFAOYSA-NAKOS015835507BS-16054SY317039DB-367446CS-0007702D82637

데이터베이스 식별자

CAS: 221030-79-1
PubChem CID: 21934064
DTXSID: DTXSID00620308
EC Number: 821-335-6

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 25.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

저장 조건: Keep in dark place,Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.